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Software

Introduction

We offer a wide range of current scientific software.

This includes the most popular simulation packages in the natural sciences, but also tools for modeling and evaluating numerical as well as text-based data in other disciplines. In addition, we offer a wide range of developer tools for various programming languages. The corresponding libraries, to fully exploit the parallel hardware architecture, are of course also available.

Info

It is not possible to use system package managers like apt or yum/dnf to install software as a user.
You can, however, install smaller packages like Python packages or R packages as a user in your home directory.
More complex software with multiple dependencies to libraries and drivers are handled by us.

The installed software is organized into categories. You can browse these categories in the navbar on the left. Each link will take you to a detailed list of software packages in this category and the available versions installed on our cluster.

However, it is more convenient to use the search function in the top right to look for specific software.

If you need other software or a different version of an existing software send us a request.

Using software modules

We use easybuild and lmod to provide a wide range of software for our users.

Please refer to the lmod user guide for a complete reference on how to use it.
Here are a few commands to get you started.

To list all available software modules type:

module avail

To load a tool in the default version type:

module load <tool name>

To load a tool in a specific/non-default version type:

module load <tool name>/<version>

To unload all tools type:

module purge

Installing packages as user

We already have a lot of common modules for several tools and languages pre-installed. If some smaller extension or another module you need is missing, feel free to install it to your home directory.

Warning

Again, you cannot install OS packages that required root access or use sudo.

However, if you encounter more complex packages with an intricate setup procedure, please contact us.

Python modules

pip install --user <packagename>

R packages

install.packages("remeta", lib="~/R/", repos="http://cran.r-project.org")